5-chloranyl-N-(2-prop-2-enylsulfanylphenyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide

Systemtic Name: 5-chloranyl-N-(2-prop-2-enylsulfanylphenyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide Openeye Name: N-(2-allylsulfanylphenyl)-5-chloro-2,3-dihydro-1,4-benzodioxine-7-carboxamide CAS Name: 5-chloro-N-[2-(prop-2-enylthio)phenyl]-2,3-dihydro-1,4-benzodioxin-7-carboxamide IUPAC Name: 5-chloro-N-(2-prop-2-enylsulfanylphenyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide Traditional Name: N-[2-(allylthio)phenyl]-5-chloro-2,3-dihydro-1,4-benzodioxin-7-carboxamide Formula: C18H16ClNO3S MolecularWeight: 361.84254

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=CC=CC=C1NC(=O)C2=CC3=C(C(=C2)Cl)OCCO3

Isomeric SMILES

C=CCSC1=CC=CC=C1NC(=O)C2=CC3=C(C(=C2)Cl)OCCO3

InChI

InChI=1S/C18H16ClNO3S/c1-2-9-24-16-6-4-3-5-14(16)20-18(21)12-10-13(19)17-15(11-12)22-7-8-23-17/h2-6,10-11H,1,7-9H2,(H,20,21)